[4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C38H48N4O2 MolecularWeight: 592.81332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCC

InChI

InChI=1S/C38H48N4O2/c1-3-5-7-9-10-11-13-15-17-31-26-39-36(40-27-31)32-18-20-34(21-19-32)38(43)44-35-24-22-33(23-25-35)37-41-28-30(29-42-37)16-14-12-8-6-4-2/h18-29H,3-17H2,1-2H3